⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29120360 | 0.91 | KDM4E (0.42) | — | |
| SCHEMBL95118 | 0.90 | KDM4E (0.41) | — | |
| SCHEMBL94781 | 0.79 | KDM4E (0.46) | — | |
| SCHEMBL96896 | 0.77 | CXCR4 (0.44) | — | |
| SCHEMBL96042 | 0.76 | — | — | |
| SCHEMBL94792 | 0.75 | CXCR4 (0.42) | — | |
| SCHEMBL94621 | 0.75 | CXCR4 (0.42) | — | |
| SCHEMBL4761390 | 0.69 | — | — | |
| SCHEMBL1567544 | 0.69 | — | — | |
| SCHEMBL1223862 | 0.68 | KDM4E (0.41) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113307767-A | Synthetic method of lenvatinib | 山东汇海医药化工有限公司 | 2021-08-27 | — | — | CN | disclosed |